N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]propanamide

• ChemBase编号: 451605
• 分子式: C21H39N3O
• 平均质量: 349.55386
• 单一同位素质量: 349.30931288
• SMILES: N1(CC(CN(C(=O)CC)CCN2CCCCC2)CCC1)C1CCCC1
• Canonical SMILES: CCC(=O)N(CC1CCCN(C1)C1CCCC1)CCN1CCCCC1
• InChI: InChI=1S/C21H39N3O/c1-2-21(25)24(16-15-22-12-6-3-7-13-22)18-19-9-8-14-23(17-19)20-10-4-5-11-20/h19-20H,2-18H2,1H3
• InChIKey: DCULULAIJOZCJO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]propanamide
• IUPAC传统名: N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]propanamide
• 别名: N-[(1-cyclopentyl-3-piperidinyl)methyl]-N-[2-(1-piperidinyl)ethyl]propanamide

理论计算性质

Provided by Chembridge

• Log P: 3.54
• LOG S: -1.8
• 极化表面积: 26.79 Å^2
• 可自由旋转的化学键: 6
• 质子受体: 3
• 质子供体: 0

JChem

• 摩尔折射率: 105.6308 cm^3
• 极化性: 41.493187 Å^3
• 极化表面积: 26.79 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -3.3680062
• LogD (pH = 7.4): -0.5451935
• Log P: 2.8702757